3,5-difluoro-N-phenylmethoxyaniline

C13H11F2NO — CID 142644052

IUPAC3,5-difluoro-N-phenylmethoxyaniline
SMILESFc1cc(F)cc(NOCc2ccccc2)c1
InChIInChI=1S/C13H11F2NO/c14-11-6-12(15)8-13(7-11)16-17-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyFRWXCDYAYMPKFL-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.51
Rot. Bonds4

About 3,5-difluoro-N-phenylmethoxyaniline

3,5-difluoro-N-phenylmethoxyaniline (PubChem CID 142644052) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3,5-difluoro-N-phenylmethoxyaniline.

Molecular Properties

Compound Name3,5-difluoro-N-phenylmethoxyaniline
PubChem CID142644052
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3,5-difluoro-N-phenylmethoxyaniline
SMILESFc1cc(F)cc(NOCc2ccccc2)c1
InChIInChI=1S/C13H11F2NO/c14-11-6-12(15)8-13(7-11)16-17-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyFRWXCDYAYMPKFL-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-phenylmethoxyaniline?
The IUPAC name of 3,5-difluoro-N-phenylmethoxyaniline (CID 142644052) is 3,5-difluoro-N-phenylmethoxyaniline.
What is the SMILES notation for 3,5-difluoro-N-phenylmethoxyaniline?
The canonical SMILES for 3,5-difluoro-N-phenylmethoxyaniline is Fc1cc(F)cc(NOCc2ccccc2)c1.
What is the InChIKey of 3,5-difluoro-N-phenylmethoxyaniline?
The InChIKey is FRWXCDYAYMPKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-11-6-12(15)8-13(7-11)16-17-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of 3,5-difluoro-N-phenylmethoxyaniline?
3,5-difluoro-N-phenylmethoxyaniline has a molecular weight of 235.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-phenylmethoxyaniline is sourced from PubChem (CID 142644052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).